2-(4,4-dimethylpiperazin-4-ium-1-yl)-1,3-benzoxazole iodide

Systemtic Name: 2-(4,4-dimethylpiperazin-4-ium-1-yl)-1,3-benzoxazole iodide Openeye Name: 2-(4,4-dimethylpiperazin-4-ium-1-yl)-1,3-benzoxazole iodide CAS Name: 2-(4,4-dimethyl-1-piperazin-4-iumyl)-1,3-benzoxazole iodide IUPAC Name: 2-(4,4-dimethylpiperazin-4-ium-1-yl)-1,3-benzoxazole iodide Traditional Name: 2-(4,4-dimethylpiperazin-4-ium-1-yl)-1,3-benzoxazole iodide Formula: C13H18IN3O MolecularWeight: 359.20599

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C2=NC3=CC=CC=C3O2)C.[I-]

Isomeric SMILES

C[N+]1(CCN(CC1)C2=NC3=CC=CC=C3O2)C.[I-]

InChI

InChI=1S/C13H18N3O.HI/c1-16(2)9-7-15(8-10-16)13-14-11-5-3-4-6-12(11)17-13;/h3-6H,7-10H2,1-2H3;1H/q+1;/p-1